The energies of the intrinsic stacking fault in 20 tetrahedrally coordinated crystals, determined by electron microscopy from the widths of extended dislocations, range from a few mJ/m to 300 mJ/m. The reduced stacking fault energy (RSFE: stacking fault energy per bond perpendicular to the fault plane) has been found to have correlations with the effective charge, the charge redistribution inde...

The governing equation of screw dislocations in heterostructures is constructed using image method. The interface type (−1 ≤ γ ≤ 1) and distance between dislocation and interface h are considered in the new equation. The Peierls–Nabarro equations for screw dislocations in bulk and semi-infinite materials can be recovered when γ = 0 and γ = −1. The soft (γ < 0) and hard (γ > 0) interfaces can en...

Stacking faults in (1010) unicrystal Co and Co-alloy thin films have been analyzed by the electron diffraction technique. As predicted no diffraction contrast of stacking faults could be observed when the beam is parallel to the [1010] direction. However, both by plan-view TEM observation and electron diffraction along the [1120] direction reveal that the stacking fault density in biased pure C...

Twenty-one ^110& symmetric tilt grain boundaries ~GB’s! are investigated with atomistic simulations, using an embedded-atom method ~EAM! potential for a low stacking-fault energy fcc metal. Lattice statics simulations with a large number of initial configurations are used to identify both the equilibrium and metastable structures at 0 K. The level of difficulty in finding the equilibrium struct...

Highly uniform step and termination structures on 4Hand 6H-SiC(0001) surfaces have been prepared via moderate annealing in disilane. Atomic force microscopy and dark-field low-energy electron microscopy imaging indicate single-phase terminations separated solely by half-unit-cell-height steps, driven by stacking fault energy. The atomic structure of 4H-SiC(0001)p 3 p3R30 -Si has been determined...

We determine the nonlinear mechanical behavior of a prototypical zeolitic imidazolate framework (ZIF-8) along two modes of mechanical failure in response to tensile and shear forces using first-principles simulations. Our generalized stacking fault energy surface reveals an intrinsic stacking fault of surprisingly low energy comparable to that in copper, though the energy barrier associated wit...

ÐA general thermodynamic model for calculating the energy of stacking faults is presented and applied to f.c.c. Fe±Cr±Ni alloys. A distinction is made between ideal stacking faults and real stacking faults which are associated with an ideal stacking-fault energy (SFE) and an e€ective SFE, respectively. The ideal SFE is characterized by a chemical energy volume term and an interphase surface ene...

We present a general method for calculating the stacking-fault energy in simple metals, and then we apply this to the ( 1 1 2 ) faults in body-centred cubic (BCC) metals. Our method contains no approximations for a given wavenumber characteristic (or equivalently the pair potential). Our results show that metastable faults do indeed exist in the simple BCC metals (Li, Na. K, Rb, Cs, Ca. Sr, Ba)...